Home Carboxys 5-Methoxyindole-3-carboxylic acid

5-Methoxyindole-3-carboxylic acid

CAS No.:
10242-01-0
Catalog Number:
AG0007EV
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$63
- +
5g
98%
In Stock USA
United States
$188
- +
25g
98%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG0007EV
Chemical Name:
5-Methoxyindole-3-carboxylic acid
CAS Number:
10242-01-0
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
MDL Number:
MFCD03265451
IUPAC Name:
5-methoxy-1H-indole-3-carboxylic acid
InChI:
InChI=1S/C10H9NO3/c1-14-6-2-3-9-7(4-6)8(5-11-9)10(12)13/h2-5,11H,1H3,(H,12,13)
InChI Key:
RVVSEZGJCOAUED-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(c[nH]2)C(=O)O
NSC Number:
88877
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.058g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
191.186g/mol
Monoisotopic Mass:
191.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
In vitro metabolism of tegaserod in human liver and intestine: assessment of drug interactions. Drug metabolism and disposition: the biological fate of chemicals 20011001
Properties